[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

C13H19BrN2OS2 — CID 105325971

IUPAC[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1csc(Br)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H19BrN2OS2/c14-11-5-10(7-19-11)12(16-15)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9,12,16H,1-4,6,8,15H2
InChIKeyKOWAZNLBPSHOGJ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.32
Rot. Bonds3

About [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine

[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105325971) has the molecular formula C13H19BrN2OS2 and a molecular weight of 363.35 g/mol. Its IUPAC name is [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105325971
Molecular FormulaC13H19BrN2OS2
Molecular Weight363.35 g/mol
Exact Mass362.01
IUPAC Name[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESNNC(c1csc(Br)c1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H19BrN2OS2/c14-11-5-10(7-19-11)12(16-15)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9,12,16H,1-4,6,8,15H2
InChIKeyKOWAZNLBPSHOGJ-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,6-dimethyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107504849
[(3-chlorothiophen-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325887
[(2-bromofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860112
[(4-bromo-2-fluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105280900
1-(5-bromothiophen-3-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105167581
[(5-methylpyrazin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325943
[6-oxa-2-thiaspiro[4.5]decan-9-yl(2H-triazol-4-yl)methyl]hydrazine
CID 105254731
[(4-chlorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193247
[(3-iodophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326001
1-(5-bromothiophen-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914771
[(5-fluoro-2-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105248353
[(5-bromothiophen-3-yl)-cycloheptylmethyl]hydrazine
CID 105330730

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105325971) is [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is NNC(c1csc(Br)c1)C1CCOC2(CCSC2)C1.
What is the InChIKey of [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is KOWAZNLBPSHOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS2/c14-11-5-10(7-19-11)12(16-15)9-1-3-17-13(6-9)2-4-18-8-13/h5,7,9,12,16H,1-4,6,8,15H2.
What are the key properties of [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 363.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105325971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).